SCHEMBL1807127

SCHEMBL1807127

COc1ccc2c(c1)C(=O)NC[C@H]1CN(C)C[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
BRD4 O60885 1/20 0.37
SRD5A1 P18405 2/20 0.37
LRRK2 Q5S007 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MTNR1A P48039 1/20 0.36
HTR2C P28335 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2598925 1.00 RYR2 (0.40) RYR2CDK5CDK5R1SIGMAR1BRD4
SCHEMBL2598921 1.00 RYR2 (0.40) RYR2CDK5CDK5R1SIGMAR1BRD4
SCHEMBL1807130 1.00 RYR2 (0.40) RYR2CDK5CDK5R1SIGMAR1BRD4
SCHEMBL2599150 0.91 HRH3 (0.40) CDK5CDK5R1SIGMAR1MAPKAPK2ALDH1A1
SCHEMBL860759 0.91 HRH3 (0.40) CDK5CDK5R1SIGMAR1MAPKAPK2ALDH1A1
SCHEMBL860760 0.91 HRH3 (0.40) CDK5CDK5R1SIGMAR1MAPKAPK2ALDH1A1
SCHEMBL14889337 0.91 HRH3 (0.40) CDK5CDK5R1SIGMAR1MAPKAPK2ALDH1A1
SCHEMBL2599151 0.91 HRH3 (0.40) CDK5CDK5R1SIGMAR1MAPKAPK2ALDH1A1
SCHEMBL1804009 0.89 KDM1A (0.38) RYR2CDK5CDK5R1ALDH1A1SLC6A2
SCHEMBL1804006 0.89 KDM1A (0.38) RYR2CDK5CDK5R1ALDH1A1SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C RYR2 363/4885CDK5 278/4885CDK5R1 169/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C RYR2 363/4885CDK5 278/4885CDK5R1 169/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C RYR2 363/4885CDK5 278/4885CDK5R1 169/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.